SCHEMBL27850002

SCHEMBL27850002

COC(=O)CCOc1cccc(CCCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
PPARA Q07869 4/20 0.49
PPARG P37231 2/20 0.49
CYP2D6 P10635 4/20 0.48
POLB P06746 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
KCNH2 Q12809 1/20 0.45
GLS O94925 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3180613 0.96 CYP4F2 (0.50) CYP4F2CYP4A11HDAC1HDAC6CNR1
SCHEMBL9120700 0.90 POLB (0.50) CYP4F2CYP4A11HDAC1HDAC6CNR1
SCHEMBL27866945 0.88 HDAC1 (0.50) HDAC1HDAC6CNR1CNR2PPARA
SCHEMBL20945413 0.88 HDAC1 (0.56) CYP4F2CYP4A11HDAC1HDAC6CNR1
SCHEMBL3168986 0.87 CYP2D6 (0.48) HDAC1HDAC6CNR1CNR2PPARA
SCHEMBL8350949 0.86 PPARA (0.61) CYP4F2CYP4A11HDAC1HDAC6PPARA
SCHEMBL7421760 0.86 CYP4F2 (0.52) CYP4F2CYP4A11HDAC1HDAC6CNR1
SCHEMBL11817709 0.85 TSHR (0.50) POLBMTNR1AMTNR1B
SCHEMBL28569142 0.84 CNR1 (0.58) HDAC1HDAC6CNR1CNR2PPARA
SCHEMBL28589342 0.83 CYP2D6 (0.61) CNR1CNR2PPARAPPARGCYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 CN disclosed